Geometry & MOs

Info

ID:	171620
PubChem CID:	75407467
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	348.184921
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	3.77
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethylcarbamoylamino)cyclohexyl] 1-(3-fluorophenyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C(=O)NC3=C(C=CN=C3)C

DOS

IR

Vibrations